Full name:Leila Karami
Date of Birth:September 2 1983
Address: Department of Cell and Molecular Biology
Faculty of Biological Siences
Phone: +98 9193155894
Postdoctoral Fellow, Computational Biophysics
- University of Tehran, (2015-2017)
Postdoctoral Fellow, Computational Physical Chemistry
- K. N. Toosi University of Technology(2013-2014)
Doctor of Philosophy, Computational Physical Chemistry
- K. N. Toosi University of Technology (2008-2012)
Master of Science, Computational Physical Chemistry
- TarbiatModares University (2006-2008)
Bachelor of Science, Pure Chemistry
- ShahidBeheshti University (2002-2006)
- Study of the interaction between some new inhibitors with soluble epoxide hydrolase by molecular docking and molecular dynamics simulations.
- Study of the interaction of anticancer drug (Cytarabine) with the lipid membranes using molecular dynamics simulations.
Doctoral thesis research:
- Study of the interaction of Proline-Rich Homeodomain with DNA using molecular dynamics simulation.
Masters' thesis research:
- Investigation of effects of hydrogen bonds on amyloid-beta structure by DFT quantum calculation of electric field gradient and chemical shielding tensors.
Islamic Azad University, Shahre Qods Branch, Tehran, Iran
- Instructor: General Chemistry I and II, Physical Chemistry Laboratory, Principles of Industrial chemistry calculations, Technical language. (2011-2016)
Shahid Beheshti University of Medical Sciences, Tehran, Iran
- Instructor: molecular dynamics simulation workshop (Gromacs) (Jun 2012)
Amirkabir university of Technology
- Instructor: molecular dynamics simulation workshop (Gromacs) (Dec 2014)
Participation in workshops
- Molecular Docking, University of Tehran (IBB)(Jun 2014)
- Computational Drug Design, University of Tehran (IBB) (Jun 2014)
- Quantum Espresso, K. N. Toosi University of Technology(Nov 2014)
- High Performance Computing (IPM)(Dec 2014)
Member, Iranian Chemical Society (2009-present)
Member, Iranian Bioinformatics Society (2014-present)
- Operating Systems: Windows, Linux
- Programming Language: C, Python,
- Scripting Language:Shell
- Molecular Viewer: Gauss view, VMD, S-pdbV, Pymol,Chimera, ArgosLab, ICM-Browser
- Computational Software: HyperChem, Gaussian, Gromacs, Amber
- Docking Software: AutoDock, AutoDockVina
- Drug Design & QSAR: Discovery Studio, Sybyl
- Molecular dynamics simulation of the biological systems to study structure-function relationship.
- Molecular modeling &molecular docking
- Computational drug design
- Quantum mechanics calculations
- L.karami, H. Behzadi, N.L. Hadipour, M. Mousavi-khoshdel, Study of C=O···H–N Hydrogen bond interactions in Amyloid beta (Aβ): A DFT study of the electric field gradient
and CS tensors and NBO analysis, Computational and Theoretical Chemistry. 965,2011, 137–145.
- S. Jalili, L. Karami,Study of Intermolecular Contacts in the (Proline-Rich Homeodomain) PRH-DNA Complex Using Molecular Dynamics Simulations,European Biophysics Journal. 41,2012, 329–340.
- S. Jalili, L. Karami, J. Schofield, Study of base pair mutations in proline-rich homeodomain (PRH)–DNA complexes using molecular dynamics, European Biophysics Journal. 42,2013, 427-440.
- L. Karami, S. Jalili, Effects of Cholesterol Concentration on the Interaction of the Cytarabine with Lipid Membranes: A Molecular Dynamics Simulation Study,Journal of Biomolecular Structure & Dynamics,33, 2014, 1254-1268.
- A. Soltani, Z. Azmoodeh, M. Bezi Javan, E. Tazikeh Lemeski, L. Karami, A DFT study of adsorption of glycine onto the surface of BC2N nanotube, Applied Surface Science, 384, 2016, 230-236.
- L. Karami, A. A. Saboury, E. Rezaee, S. A. Tabatabai, Investigation of the binding mode of 1, 3, oxadiazole derivatives as amide-based inhibitors for soluble epoxide hydrolase (sEH) by molecular docking and MM-GBSA, European Biophysics Journal, DOI: 10.1007/s00249-016-1188-0
- E. Tazikeh,L. Karami, A. A. Saboury, A. Soltani, Molecular Dynamics Simulation and Free Energy Studies on the Interaction of Salicylic Acid with Human Serum Albumin (HSA), revised in Physical Chemistry Research.5, 2017, 483-496.
Shahid Beheshti University of Medical Sciences
- First workshop in Modeling of biological nanosystems (Jun 2012)
Institute of Medicinal Plants and Raw Materials, ShahidBeheshti University, Tehran, Iran
- Guest Lecturer: Medicinal Chemistry, H. Rafati instructor (Nov 2013)
Presentations, Papers,and Posters
- L. Karami. (Jul 2008). Density functional theory study of N-H…O=C hydrogen bonding effects in structure of beta amyloid.Paper presented at the 11th Iranian Physical Chemistry Conference, Ardebil, Iran (Poster)
- L. Karami. (Apr 2010). Molecular dynamics analysis of Proline-Rich Homeodomain (PRH) – DNA interaction.Paper presented at the 13th Iranian Physical Chemistry Conference, Shiraz, Iran (Poster)
- L. Karami. (Feb 2010). Study of intermolecular contacts in the (proline-rich homeodomain) PRH – DNA complex using molecular dynamics simulations.Paper presented at the 14th Iranian Physical Chemistry Conference, Tehran, Iran (Poster)
- L. Karami. (Aug 2012). Predicting the effects of basepair mutations in proline-rich homeodomain (PRH)-DNA complex by thermodynamic integration.Paper presented at the 15th Iranian Physical Chemistry Conference, Tehran, Iran (Oral)
- L. Karami. (May 2014).Dynamical and Structural Properties of Cytarabine in a Lipid Bilayer: A Molecular Dynamics Study. Paper presented at the 5th Iranian Bioinformatic Conference, Tehran, Iran (Oral)
- L. Karami. (Oct 2014). Molecular Dynamics Simulation study of charged and uncharged Isoniazid in a DPPC Lipid Bilayer, Paper presented at the 17th Iranian Physical Chemistry Conference, Tehran, Iran (Oral)
- L. Karami. (Oct 2014). Study of Interaction between Human Growth Hormone and Zinc Ions by Molecular Dynamic Simulation, Paper presented at the 17th Iranian Physical Chemistry Conference, Tehran, Iran (Poster)
- L. Karami. (Dec 2015). Molecular docking and molecular dynamics simulation study of the
interaction between new amide-based inhibitors and soluble epoxide hydrolase (sEH), Paper presented at 14th Iranian Pharmaceutical Science Congress & 1st symposium of biopharmaceutics and pharmacokinetics, Tehran, Iran (Poster)
- L. Karami. (Dec 2016). Exploring the complex formation between a mutant DNA and the Wild type Hoxc8 protein: A MD simulation approach. Paper presented at the 6th Iranian Bioinformatic Conference, Tehran, Iran (Poster)
- L. Karami. (Dec 2016) Discovery of Phytochemicals Targeting c-Met Kinase Domain using Consensus Docking and Molecular Dynamics Simulation Studies. Paper presented at the 6th Iranian Bioinformatic Conference, Tehran, Iran (Poster)
- Physical Chemistry for Biological Sciences, G. Hammes (Wiley)
- Niosha Kalantari, MSc (Islamic Azad University of Gorgan, 2015)